SCHEMBL3204396

SCHEMBL3204396

O=C(O)CCC(S)c1ccccc1.O=C(O)CCC(S)c1ccccc1.OCC1(CO)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CPA3 P15088 1/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSK P43235 1/20 0.33
CCKBR P32239 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3194531 0.86 CYP2C19 (0.39) ALDH1A1CYP1A2CYP2C19USP2HPGD
SCHEMBL877952 0.82 CYP2D6 (0.48) NAALAD2ALDH1A1CYP1A2CYP2D6TSHR
Ethylene Glycol SCHEMBL3192561 0.80 CYP2D6 (0.44) NAALAD2ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL3202019 0.80 GAA (0.37) CYP2D6KMT2ACNR2GAACHRM2
SCHEMBL3204390 0.78 CTSK (0.40) KMT2ASMN1; SMN2CTSKCHRM2CHRM4
SCHEMBL3209366 0.77 ALDH1A1 (0.42) NAALAD2ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL3206596 0.77 ALDH1A1 (0.42) NAALAD2ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL3097380 0.76 GABRP (0.37) ALDH1A1CYP1A2TSHRCYP2C19USP2
Glycerin SCHEMBL3214162 0.76 ALDH1A1 (0.41) NAALAD2ALDH1A1CYP1A2CYP2D6TSHR
Glycerin SCHEMBL3213893 0.76 ALDH1A1 (0.41) NAALAD2ALDH1A1CYP1A2CYP2D6TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND SHOWA DENKO K.K. (JP) 2010-02-04 US disclosed
EP-2030989-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING THIOL COMPOUND Showa Denko K.K. (JP) 2009-03-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND TMT1A, CCNT1, MGMT NAALAD2 951/4885ALDH1A1 124/4885CYP1A2 3066/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.